- Tytuł:
- Simulation of optical spectra of novel Tl4CdI6 and Tl4HgI6 optoelectronic crystals
- Autorzy:
-
Franiv, V
Bovgyra, O
Kushnir, O
Franiv, A
Plucinski, K J - Powiązania:
- https://bibliotekanauki.pl/articles/173547.pdf
- Data publikacji:
- 2014
- Wydawca:
- Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
- Tematy:
-
density functional theory
band structure
density of states
optical properties - Opis:
- The results of calculations using local density approximation and generalized gradient approximation: the total energy depending on the volume of the unit cell, the distribution of the total density of states and the partial contributions of electronic orbitals in the band structure of Tl4CdI6 and Tl4HgI6 crystals are shown in this paper. The spectra of the real part of the dielectric permittivity, the spectra of the imaginary part of permittivity, the reflection spectra and the absorption coefficient of both crystals are obtained using the Kramers–Kronig method. A comparative analysis of theoretical calculations with experimental data is carried out. Substantial influence of electron–phonon broadening is shown.
- Źródło:
-
Optica Applicata; 2014, 44, 2; 317-326
0078-5466
1899-7015 - Pojawia się w:
- Optica Applicata
- Dostawca treści:
- Biblioteka Nauki
Artykuł